1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[4-(dimethylaminomethyl)benzyl]isonipecotamide Formula: C22H27ClFN3O3S MolecularWeight: 467.984483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H27ClFN3O3S/c1-26(2)15-17-5-3-16(4-6-17)14-25-22(28)18-9-11-27(12-10-18)31(29,30)19-7-8-21(24)20(23)13-19/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,25,28)